SCHEMBL6768751

SCHEMBL6768751

NC(=Nc1cccc(F)c1F)N1CCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
SIGMAR1 Q99720 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4B Q07343 2/20 0.46
PDE4D Q08499 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NOTUM Q6P988 1/20 0.45
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MGLL Q99685 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6768097 0.99 ATM (0.56) ATMSIGMAR1SMN1; SMN2PDE4BPDE4D
SCHEMBL7105253 0.92 MAPT (0.52) ATMSIGMAR1L3MBTL1NOTUMMAPT
SCHEMBL7098241 0.91 ATM (0.51) ATMSIGMAR1SMN1; SMN2PDE4BPDE4D
SCHEMBL6769257 0.82 SIGMAR1 (0.50) SIGMAR1SMN1; SMN2MEN1KMT2ANOTUM
SCHEMBL6775636 0.81 MAPT (0.48) SIGMAR1SMN1; SMN2PDE4BKMT2ANOTUM
SCHEMBL6768618 0.81 SIGMAR1 (0.58) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1
SCHEMBL7104957 0.81 SIGMAR1 (0.50) SIGMAR1SMN1; SMN2PDE4BKMT2ANOTUM
SCHEMBL6768665 0.80 MAPT (0.50) SIGMAR1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL7099090 0.78 SIGMAR1 (0.53) ATMSIGMAR1SMN1; SMN2PDE4BPDE4D
SCHEMBL6765723 0.78 SIGMAR1 (0.53) SIGMAR1SMN1; SMN2MEN1KMT2ANOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
US-6770668-B2 INDOLINYL, 1,2,3,4-TETRAHYDROQUINOLINYL, 1,2,3,4-TETRAHYDRO ISOQUINOLINYL, BENZ(CD)INDOLINYL AND 5,6-DIHYDROPHEN ANTHRIDINYL COMPOUNDS; TREATING NEURODEGENERATIVE DISORDERS WYETH 2004-08-03 US disclosed
US-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US disclosed
US-6514990-B2 Fused N-heterocylic rings substituted at the ring nitrogen with group of formula (R-N(-R1)-C(=NH)-); treating a neurodegenerative disease; N-(m-ethylphenyl)-1-indolinylcarboximidamide, for example SCION PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US disclosed
US-6358993-B1 TREATMENT OF NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS; NEUROPROTECTIVE AGENTS; SUBSTITUTED INDOLINYL AND INDOLINYL GUANIDINE DERIVATIVES CENES PHARMACEUTICALS, INC. 2002-03-19 US disclosed
US-6025355-A SUBSTITUTED INDOLINYL AND DERIVATIVES THEREOF, NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS. CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-02-15 US disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN ATM 3310/4885SIGMAR1 2813/4885SMN1; SMN2 104/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN ATM 3310/4885SIGMAR1 2813/4885SMN1; SMN2 104/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.